Geometry & MOs

Info

ID:

427845

PubChem CID:

135164289

Reduced:

O8C29H36 (1)

Stoich.:

A8B29C36 (1)

Weight, g/mol:

588.253475

ΔHf, kcal/mol:

-289.27

Dipole, Da:

3.05

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[6-(4,4-difluorobut-3-enyl)naphthalen-2-yl]-5-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]cyclohexyl]oxyethyl 2-(hydroxymethyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2=C(C=CC=C2OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations